4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide

C18H17N3O3 — CID 17410105

IUPAC4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
SMILESCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C18H17N3O3/c1-18(14-5-3-2-4-6-14)16(23)21(17(24)20-18)11-12-7-9-13(10-8-12)15(19)22/h2-10H,11H2,1H3,(H2,19,22)(H,20,24)
InChIKeySTXVAJRKMYIPOG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.75
Rot. Bonds4

About 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide

4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide (PubChem CID 17410105) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
PubChem CID17410105
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
SMILESCC1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C18H17N3O3/c1-18(14-5-3-2-4-6-14)16(23)21(17(24)20-18)11-12-7-9-13(10-8-12)15(19)22/h2-10H,11H2,1H3,(H2,19,22)(H,20,24)
InChIKeySTXVAJRKMYIPOG-UHFFFAOYSA-N
XLogP1.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide (CID 17410105) is 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide is CC1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The InChIKey is STXVAJRKMYIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-18(14-5-3-2-4-6-14)16(23)21(17(24)20-18)11-12-7-9-13(10-8-12)15(19)22/h2-10H,11H2,1H3,(H2,19,22)(H,20,24).
What are the key properties of 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 17410105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).